Vitas-M small molecule compound
2-[4-(1,1-dioxido-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl (2E)-3-(3-chlorophenyl)prop-2-enoate hydrochloride
Catalog ID
STL286964
SMILES O=C(/C=C/c1cccc(c1)Cl)OCCN1CCN(CC1)C1=NS(=O)(=O)c2c1cccc2.Cl
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C22H23Cl2N3O4S MW 496.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN3O4S.ClH/c23-18-5-3-4-17(16-18)8-9-21(27)30-15-14-25-10-12-26(13-11-25)22-19-6-1-2-7-20(19)31(28,29)24-22;/h1-9,16H,10-15H2;1H/b9-8+;InChIKey
HHDWMFSNZLHLQE-HRNDJLQDSA-NSynonyms
2(4(11dioxido12benzothiazol3yl)piperazin1yl)ethyl(2E)3(3chlorophenyl)prop2enoatehydrochloride
2(4(11dioxo12benzothiazol3yl)piperazin1yl)ethyl(E)3(3chlorophenyl)prop2enoatehydrochloride
C1CN(CCN1CCOC(=O)C=CC2=CC(=CC=C2)Cl)C3=NS(=O)(=O)C4=CC=CC=C43Cl
InChI=1SC22H22ClN3O4SClHc231853417(1618)8921(27)30151425101226(131125)2219612720(19)31(2829)2422h1916H1015H21Hb98+
MFCD04083654
O=C(C=Cc1cccc(c1)Cl)OCCN1CCN(CC1)C1=NS(=O)(=O)c2c1cccc2Cl
ZINC000019798958
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